OLIGAMI : Oligomer Architecture and Molecular Interface

Title

CRYSTAL STRUCTURE OF A CARBONYL REDUCTASE FROM PSEUDOMONAS AERUGINOSA PAO1 (CONDITION II)

Structure Summary

PDB ID	Mutant	OPM	Pub Med	Method/Resolution	HETNAM
5wqn			28524228	X-RAY DIFFRACTION/2

Chain Formula
Amino Acid sequence	SCOPe Family Level	CATH Homology Level
[A2]	[A2]	[A2]

Interfaces

Interface ID	Chain	Inaterface Class	Interface Type	Contact Type
5wqn_AB	A B	HN HN	i15_CR(H13,N13)_HH(S2)_HN(L1,S5) i15_CR(H13,N13)_HH(S2)_HN(L1,S5)	c8_RP(HH15,NN15,HN24,NH22)_HH(A1,S2)_HN(L6,S4) c8_RP(HH15,NN15,HN24,NH22)_HH(A1,S2)_HN(L6,S4)

Interface Class

Interface ID	Interface 1						Interface 2
	Domain	Number of contact residues	Binding site Class	Percentages of Secondary structures(%)			Domain	Number of contact residues	Binding site Class	Percentages of Secondary structures(%)
	Domain	Number of contact residues	Binding site Class	H	E	N	Domain	Number of contact residues	Binding site Class	H	E	N
5wqn_AB	A	33	HN	57.6	100	42.4	B	33	HN	57.6	0	42.4

Interface Type: Information for each interface

Interface ID	chain	Number of contact residues			Number of elements					Number of contacts between Secondary structure elements
		Number of contact residues			Number of elements					HH			EE						HE			HN		EN
		Hn	En	Nn	H	E	N	R	L	P	A	S	P	A	S	Ph	Ah	Ih	P	A	S	L	S	L	S
5wqn_AB	A	19	33	14	3	0	6	0	0	0	0	2	0	0	0	0	0	0	0	0	0	1	9	0	0
5wqn_AB	B	19	0	14	3	0	5	0	0	0	0	2	0	0	0	0	0	0	0	0	0	1	8	0	0

Contact Type: Information of contacts between interfaces

Interface ID	Number of residue pairs between SS elements									Number of contacts between Secondary structure elements
	H-H	E-E	N-N	H-E	H-N	N-E	E-H	N-H	E-N	H-H				E-E					H-E				H-N			E-N
	H-H	E-E	N-N	H-E	H-N	N-E	E-H	N-H	E-N	P	A	S	Ih	P	A	S	IPh	IAh	P	A	S	Ih	L	S	Ih	L	S	Ih
5wqn_AB	27	0	15	0	18	0	0	20	0	1	1	2	0	0	0	0	0	0	0	0	0	0	6	3	0	0	0	0

Structual Classification

SCOPe

SCOPe ID	Chain	Class	Fold	Superfamily	Family	Protein Domain	Species
339878	A:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Pseudomonas aeruginosa, PA01 [TaxId: 208964]
339908	B:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Pseudomonas aeruginosa, PA01 [TaxId: 208964]
339879	C:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Pseudomonas aeruginosa, PA01 [TaxId: 208964]
339909	D:	Alpha and beta proteins (a/b)	NAD(P)-binding Rossmann-fold domains	NAD(P)-binding Rossmann-fold domains	automated matches	automated matches	Pseudomonas aeruginosa, PA01 [TaxId: 208964]

CATH

CATH ID	Node	Architecture	Topology	Homology
5wqnA00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
5wqnB00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
5wqnC00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain
5wqnD00	3.40.50.720	:3-Layer(aba) Sandwich	:Rossmann fold	:NAD(P)-binding Rossmann-like Domain